N-[(4-acetamidophenyl)methyl]-1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide

Systemtic Name: N-[(4-acetamidophenyl)methyl]-1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide Openeye Name: N-[(4-acetamidophenyl)methyl]-1-(4-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carboxamide CAS Name: N-[(4-acetamidophenyl)methyl]-1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide IUPAC Name: N-[(4-acetamidophenyl)methyl]-1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide Traditional Name: N-(4-acetamidobenzyl)-1-(4-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carboxamide Formula: C22H18FN5O2S MolecularWeight: 435.474023

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CNC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=C(C=C4)F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CNC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H18FN5O2S/c1-14(29)25-17-8-4-15(5-9-17)13-24-22(30)20-26-21(19-3-2-12-31-19)28(27-20)18-10-6-16(23)7-11-18/h2-12H,13H2,1H3,(H,24,30)(H,25,29)